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1253106-58-9 | Naphtho[2,3-b]furan-2,7-dione, 4,4a,8,8a,9,9a-hexahydro-9a-hydroxy-3,5,8a-trimethyl-, (4aR,8aR,9aS)-
CAS No: 1253106-58-9 Catalog No: AG000NGH MDL No:
Product Description
Catalog Number:
AG000NGH
Chemical Name:
Naphtho[2,3-b]furan-2,7-dione, 4,4a,8,8a,9,9a-hexahydro-9a-hydroxy-3,5,8a-trimethyl-, (4aR,8aR,9aS)-
CAS Number:
1253106-58-9
Molecular Formula:
C15H18O4
Molecular Weight:
262.3010
IUPAC Name:
(4aR,8aR,9aS)-9a-hydroxy-3,5,8a-trimethyl-4,4a,8,9-tetrahydrobenzo[f][1]benzofuran-2,7-dione
InChI:
InChI=1S/C15H18O4/c1-8-4-10(16)6-14(3)7-15(18)12(5-11(8)14)9(2)13(17)19-15/h4,11,18H,5-7H2,1-3H3/t11-,14+,15-/m0/s1
InChI Key:
PASWZWOWOOCKAU-GLQYFDAESA-N
SMILES:
O=C1C=C(C)[C@H]2[C@@](C1)(C)C[C@]1(C(=C(C(=O)O1)C)C2)O
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
262.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.305g/mol
Monoisotopic Mass:
262.121g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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